4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide

C9H5Cl3N4O2 — CID 55103950

IUPAC4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H5Cl3N4O2/c10-3-1-5(12)6(2-4(3)11)14-9(17)7-8(13)16-18-15-7/h1-2H,(H2,13,16)(H,14,17)
InChIKeyDWTXRMFUVXVQGI-UHFFFAOYSA-N
MW307.52 g/mol
LogP2.86
Rot. Bonds2

About 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55103950) has the molecular formula C9H5Cl3N4O2 and a molecular weight of 307.52 g/mol. Its IUPAC name is 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID55103950
Molecular FormulaC9H5Cl3N4O2
Molecular Weight307.52 g/mol
Exact Mass305.95
IUPAC Name4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H5Cl3N4O2/c10-3-1-5(12)6(2-4(3)11)14-9(17)7-8(13)16-18-15-7/h1-2H,(H2,13,16)(H,14,17)
InChIKeyDWTXRMFUVXVQGI-UHFFFAOYSA-N
XLogP2.86
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
4-amino-N-(2-chloro-4-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 107808049
4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
CID 114050962
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688148
4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62686312
4-amino-N-(2-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688483
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389
6-amino-5-chloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 62151288
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-5-bromobenzoic acid
CID 62688383
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-bromobenzoic acid
CID 62686543
4-amino-5-methyl-N-(2,4,5-trichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62081034

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide (CID 55103950) is 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DWTXRMFUVXVQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4O2/c10-3-1-5(12)6(2-4(3)11)14-9(17)7-8(13)16-18-15-7/h1-2H,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 307.52 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55103950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).